3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

C14H19N3O4 — CID 82147846

IUPAC3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CCN)C2=O)cc1OC
InChIInChI=1S/C14H19N3O4/c1-14(12(18)17(7-6-15)13(19)16-14)9-4-5-10(20-2)11(8-9)21-3/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyCUIWRPWDFBSYPU-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.43
Rot. Bonds5

About 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 82147846) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID82147846
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CCN)C2=O)cc1OC
InChIInChI=1S/C14H19N3O4/c1-14(12(18)17(7-6-15)13(19)16-14)9-4-5-10(20-2)11(8-9)21-3/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyCUIWRPWDFBSYPU-UHFFFAOYSA-N
XLogP0.43
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7987019
5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 18079330
5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 18166894
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 40811441
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7872893
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40987053
2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532099
N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2620124
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18774902

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 82147846) is 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(CCN)C2=O)cc1OC.
What is the InChIKey of 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CUIWRPWDFBSYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(12(18)17(7-6-15)13(19)16-14)9-4-5-10(20-2)11(8-9)21-3/h4-5,8H,6-7,15H2,1-3H3,(H,16,19).
What are the key properties of 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 293.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 82147846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).